6L2H
CGTase mutant-Y167H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-10-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.939, 78.448, 135.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.209 - 2.096 |
R-factor | 0.1584 |
Rwork | 0.157 |
R-free | 0.19480 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.965 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX (v1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.210 | 2.180 |
High resolution limit [Å] | 2.090 | 2.100 |
Rmerge | 0.065 | 0.250 |
Number of reflections | 41763 | |
<I/σ(I)> | 20.5 | 5.3 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8.5 | 298 | 15% PEG 4000, 0.05M Tris-HCl, 0.1M sodium acetate buffer, 25mM Na2HPO4, 150mM NaCl, 10mM imidazole, pH 8.5 |